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MedKoo Cat#: 571069 | Name: Simazine
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Simazine is a chlorotriazine herbicide and pesticide. It may cause testicular degeneration, neuroendocrine disruption, mammary cancer, and fetal developmental delays.

Chemical Structure

Simazine
Simazine
CAS#122-34-9

Theoretical Analysis

MedKoo Cat#: 571069

Name: Simazine

CAS#: 122-34-9

Chemical Formula: C7H12ClN5

Exact Mass: 201.0781

Molecular Weight: 201.66

Elemental Analysis: C, 41.69; H, 6.00; Cl, 17.58; N, 34.73

Price and Availability

Size Price Availability Quantity
250mg USD 350.00
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Related CAS #
No Data
Synonym
Simazine; Aquazine; Herbex; Tafazine; Radocon
IUPAC/Chemical Name
s-Triazine, 2-chloro-4,6-bis(ethylamino)-
InChi Key
ODCWYMIRDDJXKW-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
SMILES Code
CCNC1=NC(NCC)=NC(Cl)=N1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Simazine is phytotoxicity and not highly toxic to soil microflora and algae. Simazine induces spleen cell apoptosis and reduces the proliferation of B and T cells in mice.
In vitro activity:
Simazine exposure led to decreased oocyte maturation competence and embryonic developmental capacity. Simazine disrupted microtubule stability and actin polymerization, hindering spindle assembly and migration. Additionally, it impaired mitochondrial function and cytosolic Ca2+ homeostasis, elevating ROS levels. Reference: Ecotoxicol Environ Saf. 2022 Jan 15;230:113105. https://pubmed.ncbi.nlm.nih.gov/34954678/
In vivo activity:
Simazine delayed the onset of puberty in the female rat and decreases serum prolactin, similar to other chlorotriazines. In the 21-day simazine exposure study, vaginal opening was delayed, the number of normal cycles was significantly decreased, and the day of first estrus was delayed compared to controls. In the 41-day exposure, vaginal opening and the day of first estrus was delayed, but the number of normal estrous cycles was not different than controls. Reference: Reprod Toxicol. 2010 Jul;29(4):393-400. https://pubmed.ncbi.nlm.nih.gov/20381603/
Solvent mg/mL mM comments
Solubility
DMSO 16.7 82.66
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 201.66 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Shang JZ, Li SR, Li XQ, Zhou YT, Ma X, Liu L, Niu D, Duan X. Simazine perturbs the maturational competency of mouse oocyte through inducing oxidative stress and DNA damage. Ecotoxicol Environ Saf. 2022 Jan 15;230:113105. doi: 10.1016/j.ecoenv.2021.113105. Epub 2021 Dec 23. PMID: 34954678. 2. Li X, Yu J, Li J, Wu Y, Li B. Dopaminergic Dysfunction in Mammalian Dopamine Neurons Induced by Simazine Neurotoxicity. Int J Mol Sci. 2017 Nov 13;18(11):2404. doi: 10.3390/ijms18112404. PMID: 29137186; PMCID: PMC5713372. 3. Li X, Hu X, Jiang Y, Wang D, Wang T, Li B. Autonomic behavioral impairment induced by simazine exposure during early life of male mouse is mediated by Lmx1a/Wnt1 pathway. Environ Toxicol. 2022 Apr;37(4):776-788. doi: 10.1002/tox.23442. Epub 2021 Dec 22. PMID: 34936186. 4. Zorrilla LM, Gibson EK, Stoker TE. The effects of simazine, a chlorotriazine herbicide, on pubertal development in the female Wistar rat. Reprod Toxicol. 2010 Jul;29(4):393-400. doi: 10.1016/j.reprotox.2010.03.010. Epub 2010 Apr 8. PMID: 20381603.
In vitro protocol:
1. Shang JZ, Li SR, Li XQ, Zhou YT, Ma X, Liu L, Niu D, Duan X. Simazine perturbs the maturational competency of mouse oocyte through inducing oxidative stress and DNA damage. Ecotoxicol Environ Saf. 2022 Jan 15;230:113105. doi: 10.1016/j.ecoenv.2021.113105. Epub 2021 Dec 23. PMID: 34954678. 2. Li X, Yu J, Li J, Wu Y, Li B. Dopaminergic Dysfunction in Mammalian Dopamine Neurons Induced by Simazine Neurotoxicity. Int J Mol Sci. 2017 Nov 13;18(11):2404. doi: 10.3390/ijms18112404. PMID: 29137186; PMCID: PMC5713372.
In vivo protocol:
1. Li X, Hu X, Jiang Y, Wang D, Wang T, Li B. Autonomic behavioral impairment induced by simazine exposure during early life of male mouse is mediated by Lmx1a/Wnt1 pathway. Environ Toxicol. 2022 Apr;37(4):776-788. doi: 10.1002/tox.23442. Epub 2021 Dec 22. PMID: 34936186. 2. Zorrilla LM, Gibson EK, Stoker TE. The effects of simazine, a chlorotriazine herbicide, on pubertal development in the female Wistar rat. Reprod Toxicol. 2010 Jul;29(4):393-400. doi: 10.1016/j.reprotox.2010.03.010. Epub 2010 Apr 8. PMID: 20381603.
1: Crayol E, Huneau F, Garel E, Zuffianò LE, Limoni PP, Romanazzi A, Mattei A, Re V, Knoeller K, Polemio M. Investigating pollution input to coastal groundwater-dependent ecosystems in dry Mediterranean agricultural regions. Sci Total Environ. 2024 Sep 4;954:176015. doi: 10.1016/j.scitotenv.2024.176015. Epub ahead of print. PMID: 39241882. 2: Imfeld G, Meite F, Ehrhart L, Fournier B, Heger TJ. Dissipation of pesticides and responses of bacterial, fungal and protistan communities in a multi- contaminated vineyard soil. Ecotoxicol Environ Saf. 2024 Sep 4;284:116994. doi: 10.1016/j.ecoenv.2024.116994. Epub ahead of print. PMID: 39236652. 3: Brumovský M, Kohoutek J, Løken KB, Sáňka O, Sørensen K, Nizzetto L. Monitoring of current-use pesticides along a Europe-Arctic transect using ships of opportunity. J Hazard Mater. 2024 Oct 5;478:135459. doi: 10.1016/j.jhazmat.2024.135459. Epub 2024 Aug 8. PMID: 39137552. 4: Grünberger O, Hamdi R, Lagacherie M, Chaabane H. Pesticide contamination pattern of surface water in an urban-agricultural mediterranean watershed (Wadi Guenniche, Bizerte Lagoon, Northern Tunisia). J Environ Sci Health B. 2024;59(8):521-539. doi: 10.1080/03601234.2024.2375905. Epub 2024 Jul 13. PMID: 39001801. 5: Gaballah MS, Yousefyani H, Karami M, Lammers RW. Free water surface constructed wetlands: review of pollutant removal performance and modeling approaches. Environ Sci Pollut Res Int. 2024 Jul;31(32):44649-44668. doi: 10.1007/s11356-024-34151-7. Epub 2024 Jul 4. PMID: 38963627. 6: de Medeiros JF, Montagner CC. Multiple barriers as an efficient treatment for removing pesticides aiming direct potable reuse: A pilot scale study. Environ Pollut. 2024 Jun 1;350:124009. doi: 10.1016/j.envpol.2024.124009. Epub 2024 Apr 24. PMID: 38670423. 7: Rubira RJG, Correia RR, Batista VRG, Pazin WM, González FG, Otero JC, Teixeira GR, Job AE. Assessing the negative impact of chlorantraniliprole, isoxaflutole, and simazine pesticides on phospholipid membrane models and tilapia gill tissues. Environ Pollut. 2024 May 15;349:123904. doi: 10.1016/j.envpol.2024.123904. Epub 2024 Mar 31. PMID: 38565392. 8: Monnier A, Díaz-Álvarez M, Turiel E, Martín-Esteban A. Evaluation of deep eutectic solvents in the synthesis of molecularly imprinted fibers for the solid-phase microextraction of triazines in soil samples. Anal Bioanal Chem. 2024 Mar;416(6):1337-1347. doi: 10.1007/s00216-024-05164-5. Epub 2024 Feb 3. PMID: 38308710; PMCID: PMC10861628. 9: Abarikwu SO, Mgbudom-Okah CJ, Ndufeiya-Kumasi LC, Monye VE, Aruoren O, Ezim OE, Omeodu SI, Charles IA. Influence of triazines and lipopolysaccharide coexposure on inflammatory response and histopathological changes in the testis and liver of BalB/c mice. Heliyon. 2024 Jan 12;10(2):e24431. doi: 10.1016/j.heliyon.2024.e24431. PMID: 38293467; PMCID: PMC10826326. 10: Flores F, Stapp LS, van Dam J, Fisher R, Kaserzon S, Negri AP. Toxicity of herbicides to the marine microalgae Tisochrysis lutea and Tetraselmis sp. Sci Rep. 2024 Jan 19;14(1):1727. doi: 10.1038/s41598-024-51401-3. PMID: 38242962; PMCID: PMC10798944. 11: do Nascimento FH, Masini JC. Porous polymer monolithic columns to investigate the interaction of humic substances with herbicides and emerging pollutants by affinity chromatography. Anal Chim Acta. 2024 Feb 1;1288:342183. doi: 10.1016/j.aca.2023.342183. Epub 2023 Dec 27. PMID: 38220310. 12: Zhang KW, Zhang HY, Kong C, Gu RR, Tian LL, Yang GX, Wang Y, Chen G, Shen XS. [Exposure Level and Risk Impact Assessment of Pesticides and Veterinary Drugs in Aquaculture Environment]. Huan Jing Ke Xue. 2024 Jan 8;45(1):151-158. Chinese. doi: 10.13227/j.hjkx.202212160. PMID: 38216467. 13: Cheng H, Xing D, Twagirayezu G, Lin S, Gu S, Tu C, Hill PW, Chadwick DR, Jones DL. Effects of field-aging on the impact of biochar on herbicide fate and microbial community structure in the soil environment. Chemosphere. 2024 Jan;348:140682. doi: 10.1016/j.chemosphere.2023.140682. Epub 2023 Nov 10. PMID: 37952819. 14: Andrunik M, Skalny M, Gajewska M, Marzec M, Bajda T. Comparison of pesticide adsorption efficiencies of zeolites and zeolite-carbon composites and their regeneration possibilities. Heliyon. 2023 Oct 4;9(10):e20572. doi: 10.1016/j.heliyon.2023.e20572. PMID: 37842606; PMCID: PMC10570599. 15: Li J, Qi L, Chen Y, Lv H, Bi H. Bioinformatics analysis of the potential mechanisms of Alzheimer's disease induced by exposure to combined triazine herbicides. Ann Hum Biol. 2023 Feb;50(1):442-451. doi: 10.1080/03014460.2023.2259242. Epub 2023 Oct 11. PMID: 37819172. 16: Onduka T, Somiya R, Yamagishi T, Hano T, Yamamoto H, Mochida K. Development of a microplate-based novel toxicity bioassay using Chlorophyta and Phaeophyceae macroalgae. Ecotoxicology. 2023 Aug;32(6):824-836. doi: 10.1007/s10646-023-02692-1. Epub 2023 Aug 17. PMID: 37592026. 17: Anantapantula SS, Wilson AE. Most treatments to control freshwater algal blooms are not effective: Meta-analysis of field experiments. Water Res. 2023 Sep 1;243:120342. doi: 10.1016/j.watres.2023.120342. Epub 2023 Jul 12. PMID: 37544109. 18: Mugudamani I, Oke SA, Gumede TP, Senbore S. Herbicides in Water Sources: Communicating Potential Risks to the Population of Mangaung Metropolitan Municipality, South Africa. Toxics. 2023 Jun 16;11(6):538. doi: 10.3390/toxics11060538. PMID: 37368638; PMCID: PMC10302186. 19: Fajardo C, Sánchez-Fortún S, Videira-Quintela D, Martin C, Nande M, D Ors A, Costa G, Guillen F, Montalvo G, Martin M. Biofilm formation on polyethylene microplastics and their role as transfer vector of emerging organic pollutants. Environ Sci Pollut Res Int. 2023 Jul;30(35):84462-84473. doi: 10.1007/s11356-023-28278-2. Epub 2023 Jun 27. PMID: 37368211. 20: Du J, Izquierdo D, Xu HF, Beisner B, Lavaud J, Ohlund L, Sleno L, Juneau P. Responses to herbicides of Arctic and temperate microalgae grown under different light intensities. Environ Pollut. 2023 Sep 15;333:121985. doi: 10.1016/j.envpol.2023.121985. Epub 2023 Jun 8. PMID: 37301455.